2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C13H9F2N3O3S — CID 50796931

IUPAC2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2[nH]1
InChIInChI=1S/C13H9F2N3O3S/c14-7-1-4-12(9(15)5-7)22(20,21)18-8-2-3-10-11(6-8)17-13(19)16-10/h1-6,18H,(H2,16,17,19)
InChIKeySOWMKJOZACTPBX-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.94
Rot. Bonds3

About 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 50796931) has the molecular formula C13H9F2N3O3S and a molecular weight of 325.30 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID50796931
Molecular FormulaC13H9F2N3O3S
Molecular Weight325.30 g/mol
Exact Mass325.03
IUPAC Name2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2[nH]1
InChIInChI=1S/C13H9F2N3O3S/c14-7-1-4-12(9(15)5-7)22(20,21)18-8-2-3-10-11(6-8)17-13(19)16-10/h1-6,18H,(H2,16,17,19)
InChIKeySOWMKJOZACTPBX-UHFFFAOYSA-N
XLogP1.94
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 50796931) is 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2[nH]1.
What is the InChIKey of 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is SOWMKJOZACTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3S/c14-7-1-4-12(9(15)5-7)22(20,21)18-8-2-3-10-11(6-8)17-13(19)16-10/h1-6,18H,(H2,16,17,19).
What are the key properties of 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 325.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50796931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).